[Pw_forum] problem in nmr calculation

[Jones Tsz-Kai Wan]

Dear Emine,

I tried and I discover that I need more k-points to do the calculation.

Regards,

Jones

On Tue, Nov 24, 2009 at 8:40 PM, Emine Kucukbenli <kucukben at sissa.it> wrote:
> Hi Jones,
>
>>>   from  grid_gather  : error #     46592
>>>    f_out too small
>>>
> Just guessing:
> this may mean that you are asking for too many pools. If it is so,
> increasing k mesh may help(?) but also you can try decreasing the number of
> pools i suppose. I wonder, have you tried changing isolve for your previous
> problem? I'm just a newbie so if I were you, I'd take Davide's suggestions
> more seriously than mine :)
>
> emine kucukbenli, phd student, sissa, italy
>
> ps: I'm writing you in private because i'm not sure and don't want to
> clutter the mailing list and misinform others. But if it works, feel free to
> report your solutions to the list.
>
>
>
>
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